9-[3-[4-[3-[3-[4-[4-(3-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-(2-phenylphenyl)carbazole

C78H50ClN7 — CID 135143796

IUPAC9-[3-[4-[3-[3-[4-[4-(3-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-(2-phenylphenyl)carbazole
SMILESClc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5cccc(-c6nc(-c7ccc(-c8ccccc8)cc7)nc(-c7cccc(-n8c9ccccc9c9ccc(-c%10ccccc%10-c%10ccccc%10)cc98)c7)n6)c5)c4)cc3)n2)c1
InChIInChI=1S/C78H50ClN7/c79-65-30-16-28-63(48-65)77-81-73(55-22-8-3-9-23-55)80-74(83-77)57-42-38-53(39-43-57)58-24-14-25-59(46-58)60-26-15-27-62(47-60)76-82-75(56-40-36-52(37-41-56)51-18-4-1-5-19-51)84-78(85-76)64-29-17-31-66(49-64)86-71-35-13-12-34-69(71)70-45-44-61(50-72(70)86)68-33-11-10-32-67(68)54-20-6-2-7-21-54/h1-50H
InChIKeyAYIPZTOVKKQDSJ-UHFFFAOYSA-N
MW1120.76 g/mol
LogP20.14
Rot. Bonds12

About 9-[3-[4-[3-[3-[4-[4-(3-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-(2-phenylphenyl)carbazole

9-[3-[4-[3-[3-[4-[4-(3-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-(2-phenylphenyl)carbazole (PubChem CID 135143796) has the molecular formula C78H50ClN7 and a molecular weight of 1120.76 g/mol. Its IUPAC name is 9-[3-[4-[3-[3-[4-[4-(3-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-(2-phenylphenyl)carbazole.

Molecular Properties

Compound Name9-[3-[4-[3-[3-[4-[4-(3-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-(2-phenylphenyl)carbazole
PubChem CID135143796
Molecular FormulaC78H50ClN7
Molecular Weight1120.76 g/mol
Exact Mass1119.38
IUPAC Name9-[3-[4-[3-[3-[4-[4-(3-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-(2-phenylphenyl)carbazole
SMILESClc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5cccc(-c6nc(-c7ccc(-c8ccccc8)cc7)nc(-c7cccc(-n8c9ccccc9c9ccc(-c%10ccccc%10-c%10ccccc%10)cc98)c7)n6)c5)c4)cc3)n2)c1
InChIInChI=1S/C78H50ClN7/c79-65-30-16-28-63(48-65)77-81-73(55-22-8-3-9-23-55)80-74(83-77)57-42-38-53(39-43-57)58-24-14-25-59(46-58)60-26-15-27-62(47-60)76-82-75(56-40-36-52(37-41-56)51-18-4-1-5-19-51)84-78(85-76)64-29-17-31-66(49-64)86-71-35-13-12-34-69(71)70-45-44-61(50-72(70)86)68-33-11-10-32-67(68)54-20-6-2-7-21-54/h1-50H
InChIKeyAYIPZTOVKKQDSJ-UHFFFAOYSA-N
XLogP20.14
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001120.76
LogP ≤ 520.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-[3-[4-[3-[3-[4-[4-(3-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-(2-phenylphenyl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-[3-[3-[4-[4-(3-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-(2-phenylphenyl)carbazole?
The IUPAC name of 9-[3-[4-[3-[3-[4-[4-(3-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-(2-phenylphenyl)carbazole (CID 135143796) is 9-[3-[4-[3-[3-[4-[4-(3-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-(2-phenylphenyl)carbazole.
What is the SMILES notation for 9-[3-[4-[3-[3-[4-[4-(3-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-(2-phenylphenyl)carbazole?
The canonical SMILES for 9-[3-[4-[3-[3-[4-[4-(3-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-(2-phenylphenyl)carbazole is Clc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5cccc(-c6nc(-c7ccc(-c8ccccc8)cc7)nc(-c7cccc(-n8c9ccccc9c9ccc(-c%10ccccc%10-c%10ccccc%10)cc98)c7)n6)c5)c4)cc3)n2)c1.
What is the InChIKey of 9-[3-[4-[3-[3-[4-[4-(3-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-(2-phenylphenyl)carbazole?
The InChIKey is AYIPZTOVKKQDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H50ClN7/c79-65-30-16-28-63(48-65)77-81-73(55-22-8-3-9-23-55)80-74(83-77)57-42-38-53(39-43-57)58-24-14-25-59(46-58)60-26-15-27-62(47-60)76-82-75(56-40-36-52(37-41-56)51-18-4-1-5-19-51)84-78(85-76)64-29-17-31-66(49-64)86-71-35-13-12-34-69(71)70-45-44-61(50-72(70)86)68-33-11-10-32-67(68)54-20-6-2-7-21-54/h1-50H.
What are the key properties of 9-[3-[4-[3-[3-[4-[4-(3-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-(2-phenylphenyl)carbazole?
9-[3-[4-[3-[3-[4-[4-(3-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-(2-phenylphenyl)carbazole has a molecular weight of 1120.76 g/mol, XLogP of 20.14, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-[3-[3-[4-[4-(3-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-(2-phenylphenyl)carbazole is sourced from PubChem (CID 135143796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).